CAS 3999-55-1 1,2-Diethyl (1R,2R)-1,2-cyclopropanedicarboxylate (HCID 11715303)

기본 정보

CAS: 3999-55-1
표준 SMILES: CCOC(=O)[C@@H]1C[C@H]1C(=O)OCC
InChIKey: SXLDHZFJMXLFJU-RNFRBKRXSA-N
분자식: C9H14O4
평균 분자량: 186.2 g/mol
단동위원소 질량: 186.08920893

이름 및 식별자

우선 이름: 1,2-Diethyl (1R,2R)-1,2-cyclopropanedicarboxylate
IUPAC: trans-diethyl (1R,2R)-cyclopropane-1,2-dicarboxylate
영어명: Diethyl trans-1,2-cyclopropanedicarboxylate
분자식: C9H14O4
분자량: 186.21

이름 및 동의어

889461-58-91,2-Diethyl (1R,2R)-1,2-cyclopropanedicarboxylateRefChem:10522543999-55-1Diethyl trans-1,2-cyclopropanedicarboxylatetrans-Diethyl cyclopropane-1,2-dicarboxylateDiethyl trans-cyclopropane-1,2-dicarboxylatediethyl (1R,2R)-cyclopropane-1,2-dicarboxylate(1R,2R)-Diethyl cyclopropane-1,2-dicarboxylateMFCD00198002Diethyltrans-cyclopropane-1,2-dicarboxylateD4743

이름 더 보기

Diethyltrans-1,2-Cyclopropanedicarboxylate>(1R,2R)-Diethyl cyclopropane-1,2-dicarboxylateDiethyl trans-1,2-cyclopropanedicarboxylate,97%Diethyl trans-1,2-cyclopropanedicarboxylate 97%trans-Diethyl cyclopropane-1,2-dicarboxylate 98%

1,2-Cyclopropanedicarboxylic acid, diethyl ester, (1R,2R)-rel-trans-1,2-Cyclopropanedicarboxylic Acid Diethyl EsterCS-W016909diethyl (-)-(1R,2R)-1,2-cyclopropanedicarboxylateSCHEMBL2705851DTXSID30471027trans-Diethyl cyclopropane-1,2-dicAKOS015843298

데이터베이스 식별자

CAS: 3999-55-1、889461-58-9
PubChem CID: 11715303
DTXSID: DTXSID30471027
Nikkaji: J791.826G

물성

구조 계산 물성

XLogP: 0.8
극성 표면적: 52.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 6
무거운 원자 수: 13
형식 전하: 0
복잡도: 190

물리화학적 성질

끓는 점: 70 · 70-75 °C/1 mmHg (lit.)
밀도: 1.061 g/mL · 1.061 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.441(lit.)
인화점: 209 °F · 209 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 녹은 후에 액체
색상: 무색~황색으로 투명함
InChI: InChI=1/C9H14O4/c1-3-12-8(10)6-5-7(6)9(11)13-4-2/h6-7H,3-5H2,1-2H3/t6-,7-/s3
InChIKey: SXLDHZFJMXLFJU-RNFRBKRXSA-N
SMILES: [C@@H]1(C(OCC)=O)C[C@H]1C(OCC)=O |&1:0,7,r|

화학적 성질

clear colorless to yellow liquid after melting

안전 및 규제

안전 데이터

wgk: 3
HS 번호: 29189900
safety_code: 24/25
위험 등급: IRRITANT
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

일반 설명Diethyl trans-1,2-cyclopropanedicarboxylate was obtained from the reaction of bis(acetonitrile)bis(diethyl fumarate)cobalt(0) with dibromomethane.